N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(3S)-1,1-dioxothiolan-3-yl]acetamide

C11H16N2O3S2 — CID 7222640

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(3S)-1,1-dioxothiolan-3-yl]acetamide
SMILESCc1nc(NC(=O)C[C@H]2CCS(=O)(=O)C2)sc1C
InChIInChI=1S/C11H16N2O3S2/c1-7-8(2)17-11(12-7)13-10(14)5-9-3-4-18(15,16)6-9/h9H,3-6H2,1-2H3,(H,12,13,14)/t9-/m1/s1
InChIKeyUWIRALKKBIWFHL-SECBINFHSA-N
MW288.39 g/mol
LogP1.52
Rot. Bonds3

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(3S)-1,1-dioxothiolan-3-yl]acetamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(3S)-1,1-dioxothiolan-3-yl]acetamide (PubChem CID 7222640) has the molecular formula C11H16N2O3S2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(3S)-1,1-dioxothiolan-3-yl]acetamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(3S)-1,1-dioxothiolan-3-yl]acetamide
PubChem CID7222640
Molecular FormulaC11H16N2O3S2
Molecular Weight288.39 g/mol
Exact Mass288.06
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(3S)-1,1-dioxothiolan-3-yl]acetamide
SMILESCc1nc(NC(=O)C[C@H]2CCS(=O)(=O)C2)sc1C
InChIInChI=1S/C11H16N2O3S2/c1-7-8(2)17-11(12-7)13-10(14)5-9-3-4-18(15,16)6-9/h9H,3-6H2,1-2H3,(H,12,13,14)/t9-/m1/s1
InChIKeyUWIRALKKBIWFHL-SECBINFHSA-N
XLogP1.52
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,1-dioxothiolan-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 4170492
1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1,1-dioxothiolan-3-yl)propan-2-one
CID 105120796
2-[(3S)-1,1-dioxothiolan-3-yl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
CID 7222707
N-(4,5-dimethyl-1,3-thiazol-2-yl)-N'-(1,1-dioxothiolan-3-yl)-N'-methyloxamide
CID 108527056
2-[(3R)-1,1-dioxothiolan-3-yl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 7222718
2-[(3S)-1,1-dioxothiolan-3-yl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 7222723
methyl 2-[[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 7222796
N-(3,5-dimethylphenyl)-2-(1,1-dioxothiolan-3-yl)acetamide
CID 16590105
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 9049138
N-(3,4-dimethylphenyl)-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 7115987
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide
CID 80520062
2-(1,1-dioxothiolan-3-yl)-N-(3-hydroxy-2-methylphenyl)acetamide
CID 64795292

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(3S)-1,1-dioxothiolan-3-yl]acetamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(3S)-1,1-dioxothiolan-3-yl]acetamide (CID 7222640) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(3S)-1,1-dioxothiolan-3-yl]acetamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(3S)-1,1-dioxothiolan-3-yl]acetamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(3S)-1,1-dioxothiolan-3-yl]acetamide is Cc1nc(NC(=O)C[C@H]2CCS(=O)(=O)C2)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(3S)-1,1-dioxothiolan-3-yl]acetamide?
The InChIKey is UWIRALKKBIWFHL-SECBINFHSA-N. The full InChI is InChI=1S/C11H16N2O3S2/c1-7-8(2)17-11(12-7)13-10(14)5-9-3-4-18(15,16)6-9/h9H,3-6H2,1-2H3,(H,12,13,14)/t9-/m1/s1.
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(3S)-1,1-dioxothiolan-3-yl]acetamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(3S)-1,1-dioxothiolan-3-yl]acetamide has a molecular weight of 288.39 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(3S)-1,1-dioxothiolan-3-yl]acetamide is sourced from PubChem (CID 7222640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).